5-methoxy-N-(2,3,4-trimethoxyphenyl)-2,3-dihydro-1,4-benzodioxin-8-amine

C18H21NO6 — CID 171920117

IUPAC5-methoxy-N-(2,3,4-trimethoxyphenyl)-2,3-dihydro-1,4-benzodioxin-8-amine
SMILESCOc1ccc(Nc2ccc(OC)c3c2OCCO3)c(OC)c1OC
InChIInChI=1S/C18H21NO6/c1-20-13-7-5-11(15(22-3)17(13)23-4)19-12-6-8-14(21-2)18-16(12)24-9-10-25-18/h5-8,19H,9-10H2,1-4H3
InChIKeySEWBDFJDUCTJKC-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.24
Rot. Bonds6

About 5-methoxy-N-(2,3,4-trimethoxyphenyl)-2,3-dihydro-1,4-benzodioxin-8-amine

5-methoxy-N-(2,3,4-trimethoxyphenyl)-2,3-dihydro-1,4-benzodioxin-8-amine (PubChem CID 171920117) has the molecular formula C18H21NO6 and a molecular weight of 347.37 g/mol. Its IUPAC name is 5-methoxy-N-(2,3,4-trimethoxyphenyl)-2,3-dihydro-1,4-benzodioxin-8-amine.

Molecular Properties

Compound Name5-methoxy-N-(2,3,4-trimethoxyphenyl)-2,3-dihydro-1,4-benzodioxin-8-amine
PubChem CID171920117
Molecular FormulaC18H21NO6
Molecular Weight347.37 g/mol
Exact Mass347.14
IUPAC Name5-methoxy-N-(2,3,4-trimethoxyphenyl)-2,3-dihydro-1,4-benzodioxin-8-amine
SMILESCOc1ccc(Nc2ccc(OC)c3c2OCCO3)c(OC)c1OC
InChIInChI=1S/C18H21NO6/c1-20-13-7-5-11(15(22-3)17(13)23-4)19-12-6-8-14(21-2)18-16(12)24-9-10-25-18/h5-8,19H,9-10H2,1-4H3
InChIKeySEWBDFJDUCTJKC-UHFFFAOYSA-N
XLogP3.24
TPSA67.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,3,4-trimethoxyphenyl)-1,3-benzodioxol-4-amine
CID 171920112
7-methoxy-N-(3,4,5-trimethoxyphenyl)-1,3-benzodioxol-4-amine
CID 171920024
(2,3,4-trimethoxyphenyl)thiourea
CID 18536860
1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl)propan-1-one
CID 155429603
6-ethyl-5,8-dimethoxy-2,3-dihydro-1,4-benzodioxine
CID 130420635
tributyl-(8-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)stannane
CID 22734375
6,8,9-trimethoxy-3,7-dihydro-2H-[1,4]dioxino[2,3-c]carbazole
CID 171715070
2-(2,3,4-trimethoxyphenyl)-4,5-dihydro-1,3-oxazole
CID 160797416
6-methyl-N-(2,3,4-trimethoxyphenyl)-1,3-benzothiazol-2-amine
CID 86577101
N-(2,3,4-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119761624
1,2,3-trimethoxybenzene;hydrofluoride
CID 174818666
8-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 43511818

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-(2,3,4-trimethoxyphenyl)-2,3-dihydro-1,4-benzodioxin-8-amine?
The IUPAC name of 5-methoxy-N-(2,3,4-trimethoxyphenyl)-2,3-dihydro-1,4-benzodioxin-8-amine (CID 171920117) is 5-methoxy-N-(2,3,4-trimethoxyphenyl)-2,3-dihydro-1,4-benzodioxin-8-amine.
What is the SMILES notation for 5-methoxy-N-(2,3,4-trimethoxyphenyl)-2,3-dihydro-1,4-benzodioxin-8-amine?
The canonical SMILES for 5-methoxy-N-(2,3,4-trimethoxyphenyl)-2,3-dihydro-1,4-benzodioxin-8-amine is COc1ccc(Nc2ccc(OC)c3c2OCCO3)c(OC)c1OC.
What is the InChIKey of 5-methoxy-N-(2,3,4-trimethoxyphenyl)-2,3-dihydro-1,4-benzodioxin-8-amine?
The InChIKey is SEWBDFJDUCTJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO6/c1-20-13-7-5-11(15(22-3)17(13)23-4)19-12-6-8-14(21-2)18-16(12)24-9-10-25-18/h5-8,19H,9-10H2,1-4H3.
What are the key properties of 5-methoxy-N-(2,3,4-trimethoxyphenyl)-2,3-dihydro-1,4-benzodioxin-8-amine?
5-methoxy-N-(2,3,4-trimethoxyphenyl)-2,3-dihydro-1,4-benzodioxin-8-amine has a molecular weight of 347.37 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-(2,3,4-trimethoxyphenyl)-2,3-dihydro-1,4-benzodioxin-8-amine is sourced from PubChem (CID 171920117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).